3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C16H27N3O3 — CID 17454172

IUPAC3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1
InChIInChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21)
InChIKeyDLCTUHHGPLHECM-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.70
Rot. Bonds2

About 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 17454172) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID17454172
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1
InChIInChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21)
InChIKeyDLCTUHHGPLHECM-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 17454172) is 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is CC1CN(CN2C(=O)NC3(CCCCCCC3)C2=O)CCO1.
What is the InChIKey of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is DLCTUHHGPLHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13-11-18(9-10-22-13)12-19-14(20)16(17-15(19)21)7-5-3-2-4-6-8-16/h13H,2-12H2,1H3,(H,17,21).
What are the key properties of 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 309.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 17454172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).